4-pentyl-2-propyl-1,3-oxazole

C11H19NO — CID 86025809

IUPAC4-pentyl-2-propyl-1,3-oxazole
SMILESCCCCCc1coc(CCC)n1
InChIInChI=1S/C11H19NO/c1-3-5-6-8-10-9-13-11(12-10)7-4-2/h9H,3-8H2,1-2H3
InChIKeyCWKOCMVGFKRRFH-UHFFFAOYSA-N
MW181.28 g/mol
LogP3.36
Rot. Bonds6

About 4-pentyl-2-propyl-1,3-oxazole

4-pentyl-2-propyl-1,3-oxazole (PubChem CID 86025809) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-pentyl-2-propyl-1,3-oxazole.

Molecular Properties

Compound Name4-pentyl-2-propyl-1,3-oxazole
PubChem CID86025809
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name4-pentyl-2-propyl-1,3-oxazole
SMILESCCCCCc1coc(CCC)n1
InChIInChI=1S/C11H19NO/c1-3-5-6-8-10-9-13-11(12-10)7-4-2/h9H,3-8H2,1-2H3
InChIKeyCWKOCMVGFKRRFH-UHFFFAOYSA-N
XLogP3.36
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-pentyl-2-propyl-1,3-oxazole?
The IUPAC name of 4-pentyl-2-propyl-1,3-oxazole (CID 86025809) is 4-pentyl-2-propyl-1,3-oxazole.
What is the SMILES notation for 4-pentyl-2-propyl-1,3-oxazole?
The canonical SMILES for 4-pentyl-2-propyl-1,3-oxazole is CCCCCc1coc(CCC)n1.
What is the InChIKey of 4-pentyl-2-propyl-1,3-oxazole?
The InChIKey is CWKOCMVGFKRRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-5-6-8-10-9-13-11(12-10)7-4-2/h9H,3-8H2,1-2H3.
What are the key properties of 4-pentyl-2-propyl-1,3-oxazole?
4-pentyl-2-propyl-1,3-oxazole has a molecular weight of 181.28 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentyl-2-propyl-1,3-oxazole is sourced from PubChem (CID 86025809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).